extract tests from setup method

materialsproject · Oct 4, 2024 · fd53bc7 · fd53bc7
1 parent b0ce8d7
commit fd53bc7
Showing 1 changed file with 31 additions and 15 deletions.
diff --git a/tests/electronic_structure/test_boltztrap2.py b/tests/electronic_structure/test_boltztrap2.py
@@ -214,16 +214,7 @@ def setUp(self):
  # non spin polarized
  loader = VasprunBSLoader(VASP_RUN)
  bztInterp = BztInterpolator(loader, lpfac=2)
- self.bztTransp = BztTransportProperties(bztInterp, temp_r=np.arange(300, 600, 100))
- assert self.bztTransp is not None
-
- self.bztTransp = BztTransportProperties(
- bztInterp, doping=10.0 ** np.arange(20, 22), temp_r=np.arange(300, 600, 100)
- )
- assert self.bztTransp is not None
- assert self.bztTransp.contain_props_doping
 
- bztInterp = BztInterpolator(loader, lpfac=2)
  self.bztTransp = BztTransportProperties(
  bztInterp,
  temp_r=np.arange(300, 600, 100),
@@ -233,15 +224,15 @@ def setUp(self):
  assert self.bztTransp is not None
 
  bztInterp = BztInterpolator(loader, lpfac=2)
- self.bztTransp = BztTransportProperties(bztInterp, load_bztTranspProps=True, fname=BZT_TRANSP_FN)
+ self.bztTransp = BztTransportProperties(
+ bztInterp,
+ load_bztTranspProps=True,
+ fname=BZT_TRANSP_FN,
+ )
  assert self.bztTransp is not None
 
  # spin polarized
  loader_sp = VasprunBSLoader(VASP_RUN_SPIN)
- bztInterp_sp = BztInterpolator(loader_sp, lpfac=2)
- self.bztTransp_sp = BztTransportProperties(bztInterp_sp, temp_r=np.arange(300, 600, 100))
- assert self.bztTransp_sp is not None
-
  bztInterp_sp = BztInterpolator(loader_sp, lpfac=2)
 
  self.bztTransp_sp = BztTransportProperties(
@@ -253,7 +244,32 @@ def setUp(self):
  assert self.bztTransp_sp is not None
 
  bztInterp_sp = BztInterpolator(loader_sp, lpfac=2)
- self.bztTransp_sp = BztTransportProperties(bztInterp_sp, load_bztTranspProps=True, fname=BZT_TRANSP_FN)
+ self.bztTransp_sp = BztTransportProperties(
+ bztInterp_sp,
+ load_bztTranspProps=True,
+ fname=BZT_TRANSP_FN,
+ )
+ assert self.bztTransp_sp is not None
+
+ def test_init(self):
+ # non spin polarized
+ loader = VasprunBSLoader(VASP_RUN)
+ bztInterp = BztInterpolator(loader, lpfac=2)
+ self.bztTransp = BztTransportProperties(bztInterp, temp_r=np.arange(300, 600, 100))
+ assert self.bztTransp is not None
+
+ self.bztTransp = BztTransportProperties(
+ bztInterp,
+ doping=10.0 ** np.arange(20, 22),
+ temp_r=np.arange(300, 600, 100),
+ )
+ assert self.bztTransp is not None
+ assert self.bztTransp.contain_props_doping
+
+ # spin polarized
+ loader_sp = VasprunBSLoader(VASP_RUN_SPIN)
+ bztInterp_sp = BztInterpolator(loader_sp, lpfac=2)
+ self.bztTransp_sp = BztTransportProperties(bztInterp_sp, temp_r=np.arange(300, 600, 100))
  assert self.bztTransp_sp is not None
 
  def test_properties(self):